3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one

C22H29N5O3 — CID 127249067

About 3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one

3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 127249067) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

• Compound Name: 3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one
• PubChem CID: 127249067
• Molecular Formula: C22H29N5O3
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.23
• IUPAC Name: 3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one
• SMILES: Cc1cccc(Nc2ccc(C3CN(CCC(=O)N4CCOCC4)CCO3)nc2)n1
• InChI: InChI=1S/C22H29N5O3/c1-17-3-2-4-21(24-17)25-18-5-6-19(23-15-18)20-16-26(9-14-30-20)8-7-22(28)27-10-12-29-13-11-27/h2-6,15,20H,7-14,16H2,1H3,(H,24,25)
• InChIKey: VLYQNOMFAWBSCZ-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 79.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one?

The IUPAC name of 3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one (CID 127249067) is 3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one.

What is the SMILES notation for 3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one?

The canonical SMILES for 3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one is Cc1cccc(Nc2ccc(C3CN(CCC(=O)N4CCOCC4)CCO3)nc2)n1.

What is the InChIKey of 3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one?

The InChIKey is VLYQNOMFAWBSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-17-3-2-4-21(24-17)25-18-5-6-19(23-15-18)20-16-26(9-14-30-20)8-7-22(28)27-10-12-29-13-11-27/h2-6,15,20H,7-14,16H2,1H3,(H,24,25).

What are the key properties of 3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one?

3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 411.51 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 127249067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).